1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: acenaphthen-5-yl-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C24H25N2O+ MolecularWeight: 357.4681

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NC=C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NC=C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C24H24N2O/c27-24(20-4-2-14-26(16-20)15-17-10-12-25-13-11-17)22-9-8-19-7-6-18-3-1-5-21(22)23(18)19/h1,3,5,8-13,20H,2,4,6-7,14-16H2/p+1/t20-/m0/s1